CID 6862315

N'-(4-isopropylbenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C20H19N5O3
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H19N5O3/c1-13(2)15-8-6-14(7-9-15)12-21-24-20(26)19-11-18(22-23-19)16-4-3-5-17(10-16)25(27)28/h3-13H,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
KEDUWTQVVWTCOQ-CIAFOILYSA-N
Compound name
3-(3-nitrophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

377.1488 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.15608 187.1
[M+Na]+ 400.13802 190.6
[M-H]- 376.14152 194.6
[M+NH4]+ 395.18262 195.7
[M+K]+ 416.11196 181.6
[M+H-H2O]+ 360.14606 180.7
[M+HCOO]- 422.14700 210.4
[M+CH3COO]- 436.16265 216.2
[M+Na-2H]- 398.12347 191.0
[M]+ 377.14825 184.2
[M]- 377.14935 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.